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5-Methyl-2-[2-(4-methylphenylamino)-3-oxo-1-cyclopenten-1-yl]-1,4-benzoquinone
SpectraBase Compound ID 4zwNzgok3QY
InChI InChI=1S/C19H17NO3/c1-11-3-5-13(6-4-11)20-19-14(7-8-16(19)21)15-10-17(22)12(2)9-18(15)23/h3-6,9-10,20H,7-8H2,1-2H3
InChIKey YTGZJEAUAQAWOS-UHFFFAOYSA-N
Mol Weight 307.35 g/mol
Molecular Formula C19H17NO3
Exact Mass 307.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8LXuLh6fzux
Name 5-Methyl-2-[2-(4-methylphenylamino)-3-oxo-1-cyclopenten-1-yl]-1,4-benzoquinone
Alternate Name(s) 2-Methyl-5-[3-oxo-2-(4-toluidino)-1-cyclopenten-1-yl]benzo-1,4-quinone
CAS Registry Number 112152-05-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17NO3
InChI InChI=1S/C19H17NO3/c1-11-3-5-13(6-4-11)20-19-14(7-8-16(19)21)15-10-17(22)12(2)9-18(15)23/h3-6,9-10,20H,7-8H2,1-2H3
InChIKey YTGZJEAUAQAWOS-UHFFFAOYSA-N
Molecular Weight 307.349 g/mol
SMILES N(C1=C(C2=CC(=O)C(=CC2=O)C)CCC1=O)c1ccc(cc1)C
SPLASH splash10-0006-9123000000-d61800715bb36c959c12
Source of Spectrum K-121-579-5
Wiley ID 1309112